Iron in PDB 4xva: Crystal Structure of Wild Type Cytochrome C Peroxidase

All present enzymatic activity of Crystal Structure of Wild Type Cytochrome C Peroxidase:
1.11.1.5;

The structure of Crystal Structure of Wild Type Cytochrome C Peroxidase, PDB code: 4xva was solved by M.Fischer, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	92.63 / 2.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.110, 104.760, 185.250, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 27.6

The binding sites of Iron atom in the Crystal Structure of Wild Type Cytochrome C Peroxidase (pdb code 4xva). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Wild Type Cytochrome C Peroxidase, PDB code: 4xva:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Wild Type Cytochrome C Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Wild Type Cytochrome C Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1201 b:33.9 occ:1.00 FE A:HEM1201 0.0 33.9 1.0 ND A:HEM1201 1.8 33.4 1.0 NA A:HEM1201 2.0 33.4 1.0 NC A:HEM1201 2.0 33.4 1.0 NB A:HEM1201 2.1 33.8 1.0 NE2 A:HIS175 2.2 32.8 1.0 O A:HOH1343 2.4 39.2 1.0 C1D A:HEM1201 2.8 33.4 1.0 C4D A:HEM1201 2.8 33.4 1.0 C4C A:HEM1201 2.9 35.9 1.0 C1A A:HEM1201 2.9 33.4 1.0 C4A A:HEM1201 3.0 34.2 1.0 C1B A:HEM1201 3.0 33.4 1.0 C4B A:HEM1201 3.0 33.4 1.0 C1C A:HEM1201 3.1 33.4 1.0 CE1 A:HIS175 3.1 33.3 1.0 CD2 A:HIS175 3.2 35.1 1.0 CHD A:HEM1201 3.3 33.9 1.0 CHA A:HEM1201 3.3 33.4 1.0 CHB A:HEM1201 3.4 33.4 1.0 CHC A:HEM1201 3.5 33.4 1.0 C2D A:HEM1201 4.0 34.3 1.0 C3D A:HEM1201 4.1 35.3 1.0 C3C A:HEM1201 4.1 34.7 1.0 C2A A:HEM1201 4.1 33.4 1.0 C3A A:HEM1201 4.2 35.0 1.0 C2C A:HEM1201 4.2 33.4 1.0 NE1 A:TRP51 4.2 31.7 1.0 C2B A:HEM1201 4.2 33.5 1.0 NE A:ARG48 4.2 35.2 0.4 ND1 A:HIS175 4.3 32.8 1.0 C3B A:HEM1201 4.3 34.5 1.0 CG A:HIS175 4.3 34.8 1.0 CD1 A:TRP51 4.5 32.7 1.0 CD A:ARG48 4.9 33.3 0.4

Iron binding site 2 out of 4 in the Crystal Structure of Wild Type Cytochrome C Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Wild Type Cytochrome C Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1201 b:38.2 occ:1.00 FE C:HEM1201 0.0 38.2 1.0 ND C:HEM1201 1.8 44.8 1.0 NA C:HEM1201 2.0 41.9 1.0 NC C:HEM1201 2.0 43.0 1.0 NB C:HEM1201 2.1 41.7 1.0 NE2 C:HIS175 2.2 40.6 1.0 O C:HOH1375 2.4 44.0 1.0 C4D C:HEM1201 2.8 44.4 1.0 C1D C:HEM1201 2.9 44.7 1.0 C1A C:HEM1201 2.9 42.5 1.0 C4C C:HEM1201 3.0 42.2 1.0 C4A C:HEM1201 3.0 41.1 1.0 C1B C:HEM1201 3.0 41.4 1.0 C4B C:HEM1201 3.0 42.1 1.0 CE1 C:HIS175 3.0 41.6 1.0 C1C C:HEM1201 3.1 49.5 1.0 CD2 C:HIS175 3.2 41.0 1.0 CHA C:HEM1201 3.3 44.8 1.0 CHD C:HEM1201 3.4 42.1 1.0 CHB C:HEM1201 3.4 39.6 1.0 CHC C:HEM1201 3.5 43.1 1.0 C3D C:HEM1201 4.1 48.2 1.0 C2D C:HEM1201 4.1 44.6 1.0 NE1 C:TRP51 4.1 40.2 1.0 C2A C:HEM1201 4.1 40.4 1.0 C3A C:HEM1201 4.2 41.3 1.0 C3C C:HEM1201 4.2 44.4 1.0 ND1 C:HIS175 4.2 40.9 1.0 C2C C:HEM1201 4.2 45.5 1.0 C2B C:HEM1201 4.2 43.4 1.0 C3B C:HEM1201 4.3 42.1 1.0 CG C:HIS175 4.3 40.9 1.0 CD1 C:TRP51 4.5 41.7 1.0 CH2 C:TRP191 5.0 44.3 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Wild Type Cytochrome C Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Wild Type Cytochrome C Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1201 b:37.9 occ:1.00 FE E:HEM1201 0.0 37.9 1.0 ND E:HEM1201 1.8 36.1 1.0 NA E:HEM1201 1.9 36.1 1.0 NC E:HEM1201 2.0 36.1 1.0 NB E:HEM1201 2.1 36.9 1.0 NE2 E:HIS175 2.1 41.8 1.0 C4D E:HEM1201 2.8 36.1 1.0 C1D E:HEM1201 2.8 36.1 1.0 C1A E:HEM1201 2.9 36.1 1.0 C4A E:HEM1201 3.0 36.1 1.0 C4C E:HEM1201 3.0 36.1 1.0 CE1 E:HIS175 3.0 38.4 1.0 C1B E:HEM1201 3.0 36.1 1.0 C4B E:HEM1201 3.1 36.1 1.0 C1C E:HEM1201 3.1 36.1 1.0 CD2 E:HIS175 3.2 40.6 1.0 CHA E:HEM1201 3.3 38.5 1.0 CHD E:HEM1201 3.3 39.5 1.0 CHB E:HEM1201 3.4 36.1 1.0 CHC E:HEM1201 3.5 36.1 1.0 C2D E:HEM1201 4.1 36.4 1.0 C3D E:HEM1201 4.1 36.9 1.0 C2A E:HEM1201 4.1 36.1 1.0 C3A E:HEM1201 4.1 36.1 1.0 ND1 E:HIS175 4.1 43.1 1.0 C3C E:HEM1201 4.2 36.1 1.0 C2C E:HEM1201 4.2 36.6 1.0 C2B E:HEM1201 4.2 36.1 1.0 CG E:HIS175 4.3 40.9 1.0 C3B E:HEM1201 4.3 36.1 1.0 NE1 E:TRP51 4.3 38.2 1.0 NE E:ARG48 4.7 45.7 1.0 CD1 E:TRP51 4.7 35.6 1.0 CG E:ARG48 4.8 37.3 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Wild Type Cytochrome C Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Wild Type Cytochrome C Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe1201 b:45.9 occ:1.00 FE G:HEM1201 0.0 45.9 1.0 ND G:HEM1201 1.9 55.1 1.0 NA G:HEM1201 2.0 47.7 1.0 NC G:HEM1201 2.0 53.0 1.0 NB G:HEM1201 2.0 43.5 1.0 NE2 G:HIS175 2.4 49.0 1.0 O G:HOH1309 2.4 47.0 1.0 C1D G:HEM1201 2.9 52.3 1.0 C4D G:HEM1201 2.9 53.0 1.0 C1A G:HEM1201 2.9 51.0 1.0 C4C G:HEM1201 3.0 53.6 1.0 C4B G:HEM1201 3.0 40.9 1.0 C4A G:HEM1201 3.0 44.9 1.0 C1B G:HEM1201 3.0 44.1 1.0 C1C G:HEM1201 3.1 48.0 1.0 CD2 G:HIS175 3.2 46.7 1.0 CHD G:HEM1201 3.3 54.1 1.0 CHA G:HEM1201 3.3 46.6 1.0 CE1 G:HIS175 3.4 46.1 1.0 CHC G:HEM1201 3.4 41.3 1.0 CHB G:HEM1201 3.4 43.7 1.0 C2D G:HEM1201 4.1 52.3 1.0 C2A G:HEM1201 4.1 54.0 1.0 C3D G:HEM1201 4.1 53.9 1.0 C3A G:HEM1201 4.2 45.6 1.0 C3C G:HEM1201 4.2 50.3 1.0 C2C G:HEM1201 4.2 46.8 1.0 NE1 G:TRP51 4.2 47.5 1.0 C2B G:HEM1201 4.2 40.5 1.0 C3B G:HEM1201 4.2 42.0 1.0 CG G:HIS175 4.4 52.4 1.0 NE G:ARG48 4.5 53.3 1.0 ND1 G:HIS175 4.5 46.6 1.0 CD1 G:TRP51 4.5 51.1 1.0 CG G:ARG48 4.8 59.3 1.0

M.Fischer, B.K.Shoichet, J.S.Fraser. Opposing Penalties For Fragment Binding Revealed By Multi-Temperature X-Ray Crystallography. To Be Published.